methyl 4-[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl]oxy-3-nitro-benzoate

Systemtic Name: methyl 4-[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl]oxy-3-nitro-benzoate Openeye Name: methyl 4-[2-(1-adamantyl)-1-methyl-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[1-(1-adamantyl)-1-oxopropan-2-yl]oxy-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[1-(1-adamantyl)-1-oxopropan-2-yl]oxy-3-nitrobenzoate Traditional Name: 4-[2-(1-adamantyl)-2-keto-1-methyl-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC4=C(C=C(C=C4)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC4=C(C=C(C=C4)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H25NO6/c1-12(19(23)21-9-13-5-14(10-21)7-15(6-13)11-21)28-18-4-3-16(20(24)27-2)8-17(18)22(25)26/h3-4,8,12-15H,5-7,9-11H2,1-2H3